SCHEMBL18784614

SCHEMBL18784614

CCn1c(C(F)(F)F)[n+](C)c2ccccc21.CS(=O)(=O)[O-]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KCNH2 Q12809 6/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ AR P10275 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoromethanesulfonic Acid SCHEMBL18784542 0.93 KCNH2 (0.41) LMNAATMPOLBALOX15TSHR
SCHEMBL18784436 0.91 LMNA (0.49) LMNAATMPOLBALOX15TSHR
SCHEMBL18784458 0.90 LMNA (0.40) LMNAATMPOLBALOX15TSHR
Bromide SCHEMBL19095358 0.89 ATM (0.41) LMNAATMPOLBHTTALDH1A1
Hydrochloric Acid SCHEMBL18784499 0.89 PTPN1 (0.38) LMNAATMPOLBHTTALDH1A1
Iodide SCHEMBL18784513 0.89 PTPN1 (0.41) ATMPOLBHTTALDH1A1AR
Fluoride Ion SCHEMBL18784475 0.89 PTPN1 (0.38) LMNAATMPOLBHTTALDH1A1
SCHEMBL18784533 0.86 SMN1; SMN2 (0.37) LMNAATMPOLBHTTALDH1A1
SCHEMBL18784580 0.86 LMNA (0.44) LMNAATMALDH1A1ARKDM4E
SCHEMBL18784549 0.82 LMNA (0.46) LMNAPOLBMAPK1HTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 — — EP disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 — — US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885POLB 3660/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885POLB 3660/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885POLB 3660/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 LMNA 3147/4885ATM 2573/4885POLB 3660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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